[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)OCC

InChI

InChI=1S/C28H38N2O6/c1-3-34-23-8-7-21(13-24(23)35-4-2)29-25(31)17-36-26(32)22-6-5-9-30(22)27(33)28-14-18-10-19(15-28)12-20(11-18)16-28/h7-8,13,18-20,22H,3-6,9-12,14-17H2,1-2H3,(H,29,31)